@article{marlindenovomolecularstructureelucidatio, title = {MARLIN: De Novo Molecular Structure Elucidation from Tandem Mass Spectra without a Ground-Truth Formula}, author = {Xujun Che and Xiuxia Du and Depeng Xu}, year = {2026}, eprint = {2607.04774}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2607.04774}, }